Squeezing the [Cu-OH...H2O-Cu]3+ bridge by cryptate encapsulation
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Squeezing the [Cu-OH...H2O-Cu]3+ bridge by cryptate encapsulation. / Bond, Andrew D; Derossi, Sofia; Jensen, Frank; Larsen, Frank B; McKenzie, Christine; Nelson, Jane.
In: Inorganic Chemistry, Vol. 44, No. 17, 22.08.2005, p. 5987-9.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - Squeezing the [Cu-OH...H2O-Cu]3+ bridge by cryptate encapsulation
AU - Bond, Andrew D
AU - Derossi, Sofia
AU - Jensen, Frank
AU - Larsen, Frank B
AU - McKenzie, Christine
AU - Nelson, Jane
PY - 2005/8/22
Y1 - 2005/8/22
N2 - Treatment of cryptand L(1) with Cu(II) generates a H3O2(-)-bridged dicopper(II) cryptate, 2, where the guest anion has responded to steric constraint by a significant shortening of the O-O distance to 2.325(9) A; computational optimization at the B3LYP/6-31(d) level suggests that the bridging O-H...O H-bond is bent (approximately 157 degrees) but that the barrier to interchange of the bridging H atom is low (
AB - Treatment of cryptand L(1) with Cu(II) generates a H3O2(-)-bridged dicopper(II) cryptate, 2, where the guest anion has responded to steric constraint by a significant shortening of the O-O distance to 2.325(9) A; computational optimization at the B3LYP/6-31(d) level suggests that the bridging O-H...O H-bond is bent (approximately 157 degrees) but that the barrier to interchange of the bridging H atom is low (
U2 - 10.1021/ic0505091
DO - 10.1021/ic0505091
M3 - Journal article
C2 - 16097817
VL - 44
SP - 5987
EP - 5989
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 17
ER -
ID: 46282938